methyl 3-butanoyl-4-(hexylamino)-6,6-dimethyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 3-butanoyl-4-(hexylamino)-6,6-dimethyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl 3-butanoyl-4-(hexylamino)-6,6-dimethyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 4-(hexylamino)-6,6-dimethyl-2-oxo-3-(1-oxobutyl)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-butanoyl-4-(hexylamino)-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 3-butyryl-4-(hexylamino)-2-keto-6,6-dimethyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C20H33NO4 MolecularWeight: 351.48032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=C(C(=O)C(C(C1)(C)C)C(=O)OC)C(=O)CCC

Isomeric SMILES

CCCCCCNC1=C(C(=O)C(C(C1)(C)C)C(=O)OC)C(=O)CCC

InChI

InChI=1S/C20H33NO4/c1-6-8-9-10-12-21-14-13-20(3,4)17(19(24)25-5)18(23)16(14)15(22)11-7-2/h17,21H,6-13H2,1-5H3